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NNP/MM: Fast molecular dynamics simulations with machine learning potentials and molecular mechanics

Raimondas Galvelis, Alejandro Varela-Rial, Stefan Doerr, Roberto Fino, Peter Eastman, Thomas E. Markland, John D. Chodera, Gianni De Fabritiis

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Tags: Biology, Chemistry, CUDA, GeForce RTX 2080 Ti, Machine learning, Molecular dynamics, Molecular simulation, Neural networks, nVidia, Package

January 23, 2022 by hgpu

Agentic Code Optimization via Compiler-LLM Cooperation

Agentic Code Optimization via Compiler-LLM Cooperation

MegaTrain: Full Precision Training of 100B+ Parameter Large Language Models on a Single GPU

MegaTrain: Full Precision Training of 100B+ Parameter Large Language Models on a Single GPU

Device Virtual Machine (DVM)

DVM: Real-Time Kernel Generation for Dynamic AI Models

AutoKernel: Autoresearch for GPU kernels. Give it any PyTorch model, go to sleep, wake up to optimized Triton kernels

AutoKernel: Autonomous GPU Kernel Optimization via Iterative Agent-Driven Search

SOL-ExecBench: Speed-of-Light Benchmarking for Real-World GPU Kernels Against Hardware Limits

SOL-ExecBench: Speed-of-Light Benchmarking for Real-World GPU Kernels Against Hardware Limits

Triton-Sanitizer: A Fast and Device-Agnostic Memory Sanitizer for Triton with Rich Diagnostic Context

Triton-Sanitizer: A Fast and Device-Agnostic Memory Sanitizer for Triton with Rich Diagnostic Context

LLM.Q: Quantized LLM training in pure CUDA/C++

LLMQ: Efficient Lower-Precision LLM Training for Consumer GPUs

True 4-Bit Quantized CNN Training on CPU

True 4-Bit Quantized Convolutional Neural Network Training on CPU: Achieving Full-Precision Parity

cuFuzz: A GPU-oriented coverage-guided fuzzer for userland CUDA application

Hunting CUDA Bugs at Scale with cuFuzz

KernelSkill: A Multi-Agent Framework for GPU Kernel Optimization

KernelSkill: A Multi-Agent Framework for GPU Kernel Optimization

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